SCHEMBL10004077

SCHEMBL10004077

CCOC(=O)c1c(OCC(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(CC)nc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 4/20 0.41
▸ GABRB2 P47870 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ TARBP2 Q15633 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10003298 0.93 ALDH1A1 (0.37) GABRA2GABRB2POLBALDH1A1MAPT
SCHEMBL10003955 0.93 ALDH1A1 (0.40) GABRA2GABRB2SMN1; SMN2POLBALDH1A1
SCHEMBL10003637 0.92 MAPT (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10003348 0.92 ALDH1A1 (0.44) GABRA2GABRB2SMN1; SMN2LMNANPC1
SCHEMBL10003156 0.91 KDM4E (0.41) GABRA2GABRB2SMN1; SMN2LMNANPC1
SCHEMBL12003592 0.90 POLB (0.42) GABRA2GABRB2SMN1; SMN2NPC1RAB9A
SCHEMBL10003679 0.90 MLYCD (0.40) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL10003970 0.90 GRIA2 (0.37) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL10004644 0.88 ALDH1A1 (0.37) GABRA2GABRB2SMN1; SMN2LMNANPC1
SCHEMBL10003072 0.88 TP53 (0.39) SMN1; SMN2NPC1RAB9APOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471789-B9 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-25 — — EP disclosed
EP-2471789-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-09-17 — — EP disclosed
US-8486965-B2 Pyrrolo[2,3-b]pyridine derivative and use thereof for treatment of cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-16 — — US disclosed
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220569-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH GABRA2 2197/4885GABRB2 1779/4885SMN1; SMN2 3164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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